4-Chloro-4'-hydroxybutyrophenone

Base Information

• Chemical Name: 4-Chloro-4'-hydroxybutyrophenone
• CAS No.: 7150-55-2
• Molecular Formula: C10H11ClO2
• Molecular Weight: 198.649
• Hs Code.: 2914700090
• European Community (EC) Number: 230-485-6
• NSC Number: 71882
• DSSTox Substance ID: DTXSID70221725
• Nikkaji Number: J227.411F
• Wikidata: Q83099661
• Mol file: 7150-55-2.mol

Synonyms:7150-55-2;4-chloro-1-(4-hydroxyphenyl)butan-1-one;4-Chloro-4'-hydroxybutyrophenone;4-Chloro-1-(4-hydroxyphenyl)-1-butanone;1-Butanone, 4-chloro-1-(4-hydroxyphenyl)-;p-(4-Chlorobutyryl)phenol;EINECS 230-485-6;4'-Hydroxy-?-Chlorobutyrophenone;Butyrophenone, 4-chloro-4'-hydroxy-;NSC71882;SCHEMBL862889;DTXSID70221725;para-hydroxy-4-chlorobutyrophenone;p-hydroxy gamma-chlorobutyrophenone;p-Hydroxy-gamma-chlorobutyrophenone;4'-Hydroxy-gamma-chlorobutyrophenone;MFCD00002362;NSC 71882;NSC-71882;AKOS016010240;CS-W006588;DS-3809;.gamma.-Chloro-para-hydroxybutyrophenone;4-Chloro-4'-hydroxybutyrophenone, 98%;4-chloro-1-(4-hydroxyphenyl)-butan-1-one;FT-0636372;4-Chloro-1-(4-hydroxy-phenyl)-butan-1-one;4-Chloro-1-(4-hydroxyphenyl)-1-butanone #;I10077;A837216

Chemical Property of 4-Chloro-4'-hydroxybutyrophenone

Chemical Property:

• Melting Point: 109-116oC
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 369.2ºC at 760 mmHg
• PKA: 8.06±0.15(Predicted)
• Flash Point: 177.1ºC
• PSA: 37.30000
• Density: 1.212g/cm3
• LogP: 2.59390
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 198.0447573
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Chloro-1-(4-hydroxyphenyl)butan-1-one 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CCCCl)O

Technology Process of 4-Chloro-4'-hydroxybutyrophenone

There total 4 articles about 4-Chloro-4'-hydroxybutyrophenone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 55.0%

4-Chlorobutanoyl chloride (4635-59-0) + phenol (108-95-2,27073-41-2) → γ-chloro-4-hydroxybutyrophenone (7150-55-2)

Guidance literature:

With aluminium trichloride; In nitrobenzene; at 40 ℃; for 3.75h;

Reference yield:

4-hydroxy-1-(4-hydroxyphenyl)-butan-1-one (113425-33-5) → γ-chloro-4-hydroxybutyrophenone (7150-55-2)

Guidance literature:

With hydrogenchloride; In water; at 5 - 100 ℃; for 9h;

DOI:10.1021/op0002996

Reference yield:

methoxybenzene (100-66-3) → γ-chloro-4-hydroxybutyrophenone (7150-55-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: aluminum (III) chloride / chlorobenzene / 17 h / 10 - 100 °C

1.2: 2 h / 0 - 20 °C

2.1: hydrogenchloride / water / 9 h / 5 - 100 °C

With hydrogenchloride; aluminum (III) chloride; In water; chlorobenzene;

DOI:10.1021/op0002996

upstream raw materials:

4-Chlorobutanoyl chloride

phenol

4-hydroxy-1-(4-hydroxyphenyl)-butan-1-one

methoxybenzene

Downstream raw materials:

4-hydroxy-1-(4-hydroxyphenyl)-butan-1-one

cyclopropyl 4-hydroxyphenyl ketone

4-(5-{(1R)-1-[4-(cyclopropylcarbonyl)phenoxy]ethyl}-1,2,4-oxadiazol-3-yl)-2-fluoro-N-[(3S)-2-oxopyrrolidin-3-yl]benzamide

4-(5-{(1R)-1-[4-(cyclopropylcarbonyl)phenoxy]ethyl}-1,2,4-oxadiazol-3-yl)-2-fluoro-N-[(3R)-2-oxopyrrolidin-3-yl]benzamide

Refernces

• 1、 Kalyanam, N.,Dave, K.G.,Likhate, M.A.. "A GENERAL ROUTE TO 3-(HYDROXYARYL)TETRAHYDRO PYRIDAZINES AND 1,2-DIAZEPINES AND DERIVATIVES". . p. 2183 - 2192. Retrieved 2007/10/02.